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softsimu abf [13 articles]

最近 softsimu さんのライブラリに追加された論文の中から タグ abf. You can also see everyone's abf.
  • Overcoming free energy barriers using unconstrained molecular dynamics simulations.
    J Chem Phys, Vol. 121, No. 7. (15 August 2004), pp. 2904-2914.
    by J Hénin, C Chipot
    posted to abf free-energy by softsimu on 2007-12-12 23:56:16 as ** along with 3 people baaden dimka and_ped10
  • Proton pathways and H<SUP><FONT SIZE='-1'>+</FONT></SUP>/Cl<SUP><FONT SIZE='-1'>-</FONT></SUP> stoichiometry in bacterial chloride transporters
    Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 1. (2007), pp. 26-33.
    by Zhifeng Kuang, Uma Mahankali, Thomas L Beck
    posted to abf free-energy ions proteins by softsimu on 2007-12-12 23:13:10 as **
  • A Stable Water Chain in the Hydrophobic Pore of the AmtB Ammonium Transporter
    Biophys. J., Vol. 92, No. 9. (1 May 2007), pp. L82-84.
    by Guillaume Lamoureux, Michael L Klein, Simon Berneche
    posted to abf free-energy nanopores by softsimu on 2007-12-12 23:12:27 as **
  • Energetics of Ion Transport in a Peptide Nanotube
    J. Phys. Chem. B (18 August 2007)
    by F Dehez, M Tarek, C Chipot
  • Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF
    Biophys. J. (5 October 2007), biophysj.107.115105.
    by Jerome Henin, Emad Tajkhorshid, Klaus Schulten, Christophe Chipot
    posted to abf free-energy by softsimu on 2007-12-12 23:11:25 as **
  • Peptide Hydrolysis in Thermolysin: Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition Mechanism
    J. Chem. Theory Comput., Vol. 3, No. 5. (11 September 2007), pp. 1837-1850.
    posted to abf free-energy by softsimu on 2007-12-12 23:11:01 as **
  • Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance
    J. Phys. Chem. B, Vol. 111, No. 41. (18 October 2007), pp. 11873-11876.
    posted to abf free-energy by softsimu on 2007-12-12 23:10:36 as **
  • Free Energy Profile of H-ras Membrane Anchor upon Membrane Insertion
    Angewandte Chemie International Edition, Vol. 46, No. 43. (2007), pp. 8234-8237.
    by Alemayehu a, Arneh Babakhani, Andrew J  Mccammon
    posted to abf free-energy by softsimu on 2007-12-12 23:08:38 as **
  • The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections
    The Journal of Chemical Physics, Vol. 125, No. 20. (2006)
    by Volodymyr Babin, Christopher Roland, Thomas A Darden, Celeste Sagui
    posted to abf free-energy by softsimu on 2007-12-12 23:07:27 as **
  • Exploring the free-energy landscape of a short peptide using an average force
    The Journal of Chemical Physics, Vol. 123, No. 24. (2005)
    by Christophe Chipot, Jérôme Hénin
    posted to abf free-energy peptides by softsimu on 2007-12-12 23:04:26 as **
  • Assessing the efficiency of free energy calculation methods
    The Journal of Chemical Physics, Vol. 120, No. 8. (2004), pp. 3563-3578.
    by David R Gomez, Eric Darve, Andrew Pohorille
    posted to abf free-energy by softsimu on 2007-12-12 22:59:56 as ** along with 1 person baaden
  • Calculating Free Energies Using a Scaled-Force Molecular Dynamics Algorithm
    Molecular Simulation, Vol. 28, No. 1. (2002), pp. 113-144.
    by Eric Darve, Michael A Wilson, Andrew Pohorille
    posted to abf free-energy by softsimu on 2007-12-12 22:58:14 as **
  • Calculating free energies using average force
    The Journal of Chemical Physics, Vol. 115, No. 20. (2001), pp. 9169-9183.
    by Eric Darve, Andrew Pohorille
    posted to abf free-energy by softsimu on 2007-12-12 22:56:38 as ** along with 1 person baaden
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